ACCESSION: MSBNK-EPA-ENTACT_AGILENT000401
RECORD_TITLE: 2,4-Di-tert-pentylphenol; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,4-Di-tert-pentylphenol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₆O
CH$EXACT_MASS: 234.1983654517
CH$SMILES: CC(C)(CC)C1C=C(C=CC=1O)C(C)(C)CC
CH$IUPAC: InChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3
CH$LINK: CAS 120-95-6
CH$LINK: INCHIKEY WMVJWKURWRGJCI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8455

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 233.191089
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0090000000-99f674256b88333fd209
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  133.065888 1.39389 13
  173.097189 2.763678 27
  175.112839 1.056751 10
  203.144139 100.000002 999
  217.159789 3.282998 32
  233.191089 2.21367 22
//